(3R)-1-(4-methylphenyl)sulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]piperidine-3-carboxamide

Systemtic Name: (3R)-1-(4-methylphenyl)sulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]piperidine-3-carboxamide Openeye Name: (3R)-1-(p-tolylsulfonyl)-N-[(Z)-3-thienylmethyleneamino]piperidine-3-carboxamide CAS Name: (3R)-1-(4-methylphenyl)sulfonyl-N-[(Z)-3-thiophenylmethylideneamino]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(4-methylphenyl)sulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]piperidine-3-carboxamide Traditional Name: (3R)-N-[(Z)-3-thenylideneamino]-1-tosyl-nipecotamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NN=CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N/N=C\C3=CSC=C3

InChI

InChI=1S/C18H21N3O3S2/c1-14-4-6-17(7-5-14)26(23,24)21-9-2-3-16(12-21)18(22)20-19-11-15-8-10-25-13-15/h4-8,10-11,13,16H,2-3,9,12H2,1H3,(H,20,22)/b19-11-/t16-/m1/s1